3-methyl-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidine-2,4-dione

Systemtic Name: 3-methyl-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidine-2,4-dione Openeye Name: 6-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-1H-pyrimidine-2,4-dione CAS Name: 3-methyl-6-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-1H-pyrimidine-2,4-dione Traditional Name: 6-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-uracil Formula: C16H21N4O2+ MolecularWeight: 301.36354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(NC1=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C=C(NC1=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C16H20N4O2/c1-18-15(21)11-14(17-16(18)22)20-9-7-19(8-10-20)12-13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3,(H,17,22)/p+1